SCHEMBL25835889

SCHEMBL25835889

CCc1ccc(-n2cnnc2CS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MGLL Q99685 1/20 0.36
TP53 P04637 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
CA2 P00918 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMD14 O00487 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
MMP2 P08253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25835864 0.76 TDP1 (0.38) SMN1; SMN2NPC1RAB9AMGLLTP53
SCHEMBL25835919 0.76 MAPK1 (0.43) SMN1; SMN2NPC1RAB9AMGLLTP53
SCHEMBL4503685 0.69 CA2 (0.52) MGLLTP53KMT2ACA2ALDH1A1
SCHEMBL11375286 0.68 ESR1 (0.41) SMN1; SMN2PTGS1MAPTALDH1A1MAPK1
SCHEMBL25835846 0.68 MGLL (0.35) NPC1RAB9AMGLLMEN1KMT2A
SCHEMBL25835857 0.66 PARP15 (0.35) NPC1RAB9AMGLLPTGS2PTGS1
SCHEMBL31754153 0.65 OPRD1 (0.55) MAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL11391773 0.65 CYP1A2 (0.51) SMN1; SMN2POLBMAPTHCAR1ALDH1A1
SCHEMBL25835986 0.64 PTGS2 (0.43) TP53PTGS2PTGS1MAPTHCAR1
SCHEMBL16559967 0.63 PSIP1 (0.41) SMN1; SMN2POLBTP53MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 4109/4885POLB 3031/4885NPC1 1889/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.